%chk=000289078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289078

0 1
O 2.855325 -1.297516 0.759410
O 2.351823 -1.671326 -1.409481
N 2.756245 1.447541 -0.426709
N -2.096962 -1.897271 0.496738
C 1.650358 0.448687 -0.367098
C 0.704497 0.529992 0.851971
C -0.552021 -0.218500 0.604835
C -1.758084 0.319551 0.019522
C -2.710754 -0.753996 -0.038665
C -0.782827 -1.559293 0.880175
C 2.307813 -0.932773 -0.457799
C -2.130914 1.589616 -0.459510
C 3.472110 1.620205 0.868758
C 2.268557 2.759180 -0.944415
C -4.008763 -0.574163 -0.560617
C -3.405239 1.762072 -0.970920
C -4.334517 0.688664 -1.020379
C 3.561439 -2.564901 0.802901
H 1.036002 0.555318 -1.309853
H 1.217987 0.143544 1.759580
H 0.476098 1.594313 1.070327
H -0.116933 -2.285430 1.312942
H -2.508422 -2.805867 0.569694
H -1.420115 2.411234 -0.423115
H 2.911357 2.159941 1.644303
H 4.409458 2.166260 0.671774
H 3.751727 0.628100 1.271674
H 3.131194 3.437685 -1.053897
H 1.516124 3.256213 -0.315174
H 1.844732 2.616454 -1.952618
H -4.714394 -1.396675 -0.597599
H -3.715772 2.734300 -1.347573
H -5.324720 0.877311 -1.433652
H 3.646537 -2.763722 1.875024
H 4.540395 -2.432409 0.331725
H 2.987660 -3.340238 0.283720


%chk=000289078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289078

0 1
O 2.679902 -1.386160 0.625584
O 2.179885 -1.359301 -1.645377
N 2.775249 1.574850 -0.256024
N -2.084031 -1.835034 0.852863
C 1.629530 0.631371 -0.264147
C 0.688647 0.690926 0.988071
C -0.567873 -0.119681 0.800929
C -1.747957 0.274858 0.046002
C -2.682520 -0.820251 0.097232
C -0.813770 -1.409397 1.273511
C 2.159990 -0.787129 -0.535369
C -2.109418 1.452614 -0.661726
C 3.575177 1.637707 0.981257
C 2.471692 2.898234 -0.827414
C -3.945327 -0.767959 -0.533371
C -3.367056 1.511800 -1.292722
C -4.274740 0.412372 -1.230363
C 3.285386 -2.725099 0.426802
H 1.028388 0.867322 -1.160612
H 1.246864 0.337478 1.871875
H 0.430599 1.754745 1.161499
H -0.173451 -2.050483 1.876923
H -2.502241 -2.737936 1.063873
H -1.423160 2.306322 -0.714444
H 3.070889 2.184267 1.815320
H 4.526925 2.158484 0.767825
H 3.808366 0.617907 1.327877
H 3.413096 3.462615 -0.959427
H 1.792578 3.522386 -0.193183
H 2.006240 2.781828 -1.821935
H -4.647100 -1.608579 -0.488468
H -3.658950 2.413403 -1.842775
H -5.245280 0.487880 -1.733486
H 3.632116 -3.031074 1.424230
H 4.125346 -2.661338 -0.285319
H 2.533008 -3.427846 0.030488


